CID 3085616

2-methyl-5-pentyl-4,5-dihydro-3(2h)-furanone

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCC[C@H]1CC(=O)[C@@H](O1)C
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-9-7-10(11)8(2)12-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKey
XLPAUDSMYFHMHV-IUCAKERBSA-N
Compound name
(2S,5S)-2-methyl-5-pentyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 138.6
[M+Na]+ 193.119898 145.6
[M-H]- 169.123404 142.5
[M+NH4]+ 188.164503 160.0
[M+K]+ 209.093838 145.4
[M+H-H2O]+ 153.127940 133.8
[M+HCOO]- 215.128881 160.3
[M+CH3COO]- 229.144531 180.6
[M+Na-2H]- 191.105346 141.8
[M]+ 170.13013142 140.2
[M]- 170.13122858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.